7-methoxy-4-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methoxy-4-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-methoxy-4-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methoxy-4-[[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-methoxy-4-[[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]coumarin Formula: C26H23N3O3S2 MolecularWeight: 489.60912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CCC4=CC=CC=C4)CC5=CC=CS5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(N3CCC4=CC=CC=C4)CC5=CC=CS5

InChI

InChI=1S/C26H23N3O3S2/c1-31-20-9-10-22-19(14-25(30)32-23(22)15-20)17-34-26-28-27-24(16-21-8-5-13-33-21)29(26)12-11-18-6-3-2-4-7-18/h2-10,13-15H,11-12,16-17H2,1H3